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CHEBI:231381 - 3-flavene

ChEBI IDCHEBI:231381
ChEBI Name3-flavene
Stars
DefinitionA member of the class of chromenes that is 2H-chromene substituted by a phenyl group at position 2. It is a metabolite of flavanone found in rat urine.
Last Modified10 May 2024
SubmitterCeri
DownloadsMolfile
FormulaC15H12O
Net Charge0
Average Mass208.260
Monoisotopic Mass208.08882
SMILESC1=CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H12O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11,15H
InChIKeyTXZZTLRVXGOMAB-UHFFFAOYSA-N
Roles Classification
Biological Roles:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
3-flavene (CHEBI:231381) has role rat metabolite (CHEBI:86264)
3-flavene (CHEBI:231381) has role xenobiotic metabolite (CHEBI:76206)
3-flavene (CHEBI:231381) is a benzenes (CHEBI:22712)
3-flavene (CHEBI:231381) is a chromenes (CHEBI:23232)
IUPAC Name 
2-phenyl-2H-chromene
Synonyms  Source
2-phenyl-2H-1-benzopyranIUPAC
flav-3-eneChEBI
2-phenyl-3-chromeneChEBI
Registry NumbersSources
CAS:6053-99-2PubChem Compound
Citations